Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1131)
Drug Name
Naratriptan
Synonyms
Naratriptan; Naratriptanum; AMKVXSZCKVJAGH-UHFFFAOYSA-N; Colatan; QX3KXL1ZA2; 121679-13-8; 1H-Indole-5-ethanesulfonamide, N-methyl-3-(1-methyl-4-piperidinyl)-; CHEBI:7478; CHEMBL1278; N-Methyl-2-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)ethanesulfonamide; N-methyl-2-(3-(1-methylpiperiden-4-yl)indole-5-yl)ethanesulfonamide; N-methyl-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide; N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide; UNII-QX3KXL1ZA2
Indication Migraine [ICD11: 8A80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 335.5 Topological Polar Surface Area 73.6
Heavy Atom Count 23 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
4440
PubChem SID
9994 ; 591979 ; 4406062 ; 7980085 ; 8152740 ; 14802133 ; 29223537 ; 46507243 ; 46530540 ; 48416313 ; 49984092 ; 50126335 ; 50340505 ; 57322272 ; 85209198 ; 92721601 ; 93166470 ; 96024943 ; 103396287 ; 103966995 ; 104306415 ; 118043420 ; 124757290 ; 125001918 ; 125164094 ; 125339313 ; 126619011 ; 126661482 ; 126731399 ; 127427940 ; 134221895 ; 134338167 ; 135035417 ; 135650691 ; 135692164 ; 137002440 ; 139157587 ; 143500462 ; 144116266 ; 152035273 ; 152253555 ; 152344169 ; 160964291 ; 164830541 ; 174006312 ; 175268422 ; 176253695 ; 179116807 ; 196105283 ; 210279333
ChEBI ID
ChEBI:7478
CAS Number
121679-13-8
TTD Drug ID
D0T3KI
Formula
C17H25N3O2S
Canonical SMILES
CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C
InChI
1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
InChIKey
AMKVXSZCKVJAGH-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Naratriptan M1 PDM014489 N. A. Conjugation - N-Glucuronidation of sulfonamide 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Monoamine oxidase type A (MAO-A) DME0044 Homo sapiens
AOFA_HUMAN
1.4.3.4
[2]
References
1 Naratriptan was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Migraine pharmacotherapy with oral triptans: a rational approach to clinical management. Expert Opin Pharmacother. 2000 Mar;1(3):391-404.

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